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First direct calculation of the partial quadrupole splitting of ligands for the prediction of Mössbauer spectra parameters in low-spin iron(II) complexes

Viktor Nikolaevich Nemykin 1
Viktor Nikolaevich Nemykin
, 
Anna E Polshina 2
Anna E Polshina
, 
Ernest V Polshin 3
Ernest V Polshin
, 
Nagao Kobayashi 4
Nagao Kobayashi
1 V.I. Vernadsky Institute of General and Inorganic Chemistry, National Academy of Sciences of Ukraine, Kiev, Ukraine
2 Institute of Sorption and Endoecological Problems, National Academy of Siences of Ukraine, Kiev, Ukraine
3 Institute of Geochemistry, Mineralogy and Ore Formation, Kiev, Ukraine
10.1070/MC2000v010n02ABEH001207
Published 2000-03-30
Communication , Volume 10, Issue 2, 54-56
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Nemykin V. N. et al. First direct calculation of the partial quadrupole splitting of ligands for the prediction of Mössbauer spectra parameters in low-spin iron(II) complexes // Mendeleev Communications. 2000. Vol. 10. No. 2. pp. 54-56.
GOST all authors (up to 50) Copy
Nemykin V. N., Polshina A. E., Polshin E. V., Kobayashi N. First direct calculation of the partial quadrupole splitting of ligands for the prediction of Mössbauer spectra parameters in low-spin iron(II) complexes // Mendeleev Communications. 2000. Vol. 10. No. 2. pp. 54-56.
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TY - JOUR
DO - 10.1070/MC2000v010n02ABEH001207
UR - https://mendcomm.colab.ws/publications/10.1070/MC2000v010n02ABEH001207
TI - First direct calculation of the partial quadrupole splitting of ligands for the prediction of Mössbauer spectra parameters in low-spin iron(II) complexes
T2 - Mendeleev Communications
AU - Nemykin, Viktor Nikolaevich
AU - Polshina, Anna E
AU - Polshin, Ernest V
AU - Kobayashi, Nagao
PY - 2000
DA - 2000/03/30
PB - Mendeleev Communications
SP - 54-56
IS - 2
VL - 10
ER -
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@article{2000_Nemykin,
author = {Viktor Nikolaevich Nemykin and Anna E Polshina and Ernest V Polshin and Nagao Kobayashi},
title = {First direct calculation of the partial quadrupole splitting of ligands for the prediction of Mössbauer spectra parameters in low-spin iron(II) complexes},
journal = {Mendeleev Communications},
year = {2000},
volume = {10},
publisher = {Mendeleev Communications},
month = {Mar},
url = {https://mendcomm.colab.ws/publications/10.1070/MC2000v010n02ABEH001207},
number = {2},
pages = {54--56},
doi = {10.1070/MC2000v010n02ABEH001207}
}
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Nemykin, Viktor Nikolaevich, et al. “First direct calculation of the partial quadrupole splitting of ligands for the prediction of Mössbauer spectra parameters in low-spin iron(II) complexes.” Mendeleev Communications, vol. 10, no. 2, Mar. 2000, pp. 54-56. https://mendcomm.colab.ws/publications/10.1070/MC2000v010n02ABEH001207.
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Abstract

A semi-empirical quantum mechanics method and a cone angle conception were used to factorise partial quadrupole splitting parameters for different ligands in axially coordinated macrocyclic complexes.

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